3-(4-fluorophenyl)-2-(2-hydroxyphenyl)-1,2-dihydroquinazolin-4-one

C20H15FN2O2 — CID 2796531

IUPAC3-(4-fluorophenyl)-2-(2-hydroxyphenyl)-1,2-dihydroquinazolin-4-one
SMILESO=C1c2ccccc2NC(c2ccccc2O)N1c1ccc(F)cc1
InChIInChI=1S/C20H15FN2O2/c21-13-9-11-14(12-10-13)23-19(16-6-2-4-8-18(16)24)22-17-7-3-1-5-15(17)20(23)25/h1-12,19,22,24H
InChIKeyZEFTXOXLFAHRAD-UHFFFAOYSA-N
MW334.35 g/mol
LogP4.30
Rot. Bonds2

About 3-(4-fluorophenyl)-2-(2-hydroxyphenyl)-1,2-dihydroquinazolin-4-one

3-(4-fluorophenyl)-2-(2-hydroxyphenyl)-1,2-dihydroquinazolin-4-one (PubChem CID 2796531) has the molecular formula C20H15FN2O2 and a molecular weight of 334.35 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-2-(2-hydroxyphenyl)-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name3-(4-fluorophenyl)-2-(2-hydroxyphenyl)-1,2-dihydroquinazolin-4-one
PubChem CID2796531
Molecular FormulaC20H15FN2O2
Molecular Weight334.35 g/mol
Exact Mass334.11
IUPAC Name3-(4-fluorophenyl)-2-(2-hydroxyphenyl)-1,2-dihydroquinazolin-4-one
SMILESO=C1c2ccccc2NC(c2ccccc2O)N1c1ccc(F)cc1
InChIInChI=1S/C20H15FN2O2/c21-13-9-11-14(12-10-13)23-19(16-6-2-4-8-18(16)24)22-17-7-3-1-5-15(17)20(23)25/h1-12,19,22,24H
InChIKeyZEFTXOXLFAHRAD-UHFFFAOYSA-N
XLogP4.30
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.35
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-2-(2-hydroxyphenyl)-1,2-dihydroquinazolin-4-one?
The IUPAC name of 3-(4-fluorophenyl)-2-(2-hydroxyphenyl)-1,2-dihydroquinazolin-4-one (CID 2796531) is 3-(4-fluorophenyl)-2-(2-hydroxyphenyl)-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for 3-(4-fluorophenyl)-2-(2-hydroxyphenyl)-1,2-dihydroquinazolin-4-one?
The canonical SMILES for 3-(4-fluorophenyl)-2-(2-hydroxyphenyl)-1,2-dihydroquinazolin-4-one is O=C1c2ccccc2NC(c2ccccc2O)N1c1ccc(F)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-2-(2-hydroxyphenyl)-1,2-dihydroquinazolin-4-one?
The InChIKey is ZEFTXOXLFAHRAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN2O2/c21-13-9-11-14(12-10-13)23-19(16-6-2-4-8-18(16)24)22-17-7-3-1-5-15(17)20(23)25/h1-12,19,22,24H.
What are the key properties of 3-(4-fluorophenyl)-2-(2-hydroxyphenyl)-1,2-dihydroquinazolin-4-one?
3-(4-fluorophenyl)-2-(2-hydroxyphenyl)-1,2-dihydroquinazolin-4-one has a molecular weight of 334.35 g/mol, XLogP of 4.30, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-2-(2-hydroxyphenyl)-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 2796531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).